N-methyl-1-[(2S)-2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]cyclohexane-1-carboxamide

C19H33N3O2 — CID 75411499

IUPACN-methyl-1-[(2S)-2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]cyclohexane-1-carboxamide
SMILESCNC(=O)C1(N2CCC[C@H]2C(=O)N2CCC(C)CC2)CCCCC1
InChIInChI=1S/C19H33N3O2/c1-15-8-13-21(14-9-15)17(23)16-7-6-12-22(16)19(18(24)20-2)10-4-3-5-11-19/h15-16H,3-14H2,1-2H3,(H,20,24)/t16-/m0/s1
InChIKeyLKXQNNUZUZLJPF-INIZCTEOSA-N
MW335.49 g/mol
LogP2.16
Rot. Bonds3

About N-methyl-1-[(2S)-2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]cyclohexane-1-carboxamide

N-methyl-1-[(2S)-2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]cyclohexane-1-carboxamide (PubChem CID 75411499) has the molecular formula C19H33N3O2 and a molecular weight of 335.49 g/mol. Its IUPAC name is N-methyl-1-[(2S)-2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-methyl-1-[(2S)-2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]cyclohexane-1-carboxamide
PubChem CID75411499
Molecular FormulaC19H33N3O2
Molecular Weight335.49 g/mol
Exact Mass335.26
IUPAC NameN-methyl-1-[(2S)-2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]cyclohexane-1-carboxamide
SMILESCNC(=O)C1(N2CCC[C@H]2C(=O)N2CCC(C)CC2)CCCCC1
InChIInChI=1S/C19H33N3O2/c1-15-8-13-21(14-9-15)17(23)16-7-6-12-22(16)19(18(24)20-2)10-4-3-5-11-19/h15-16H,3-14H2,1-2H3,(H,20,24)/t16-/m0/s1
InChIKeyLKXQNNUZUZLJPF-INIZCTEOSA-N
XLogP2.16
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylbutanoyl]-N-(cyclohexylmethyl)pyrrolidine-2-carboxamide
CID 11176463
N-[1-({2-[butyl(methyl)amino]ethyl}amino)-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexanecarboxamide
CID 16187659
1-[2-(1-Cyclohexanecarbonyl-piperidin-4-ylamino)-acetyl]-pyrrolidine-2-carbonitrile
CID 10904132
Proline scaffold, 34
CID 42618131
Cyclohexanecarboxylic acid {1-[(cyclohexyl-methyl-carbamoyl)-methyl]-piperidin-4-yl}-amide
CID 6603003
(2S)-2-[[(2S)-2-[(3R)-3-(3-cyclohexylpropylamino)-2-oxo-3-propylpyrrolidin-1-yl]pentanoyl]amino]-4-methylpentanamide
CID 44307165
(2S)-1-[(2S)-2-amino-2-cyclohexylacetyl]-N-[(4-aminocyclohexyl)methyl]pyrrolidine-2-carboxamide
CID 44353259
N-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]cyclohexanecarboxamide
CID 3237241
Proline scaffold, 9
CID 42618107
Proline scaffold, 10
CID 42618108
Proline scaffold, 29
CID 42618126
Proline scaffold, 30
CID 42618127

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(2S)-2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]cyclohexane-1-carboxamide?
The IUPAC name of N-methyl-1-[(2S)-2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]cyclohexane-1-carboxamide (CID 75411499) is N-methyl-1-[(2S)-2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for N-methyl-1-[(2S)-2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]cyclohexane-1-carboxamide?
The canonical SMILES for N-methyl-1-[(2S)-2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]cyclohexane-1-carboxamide is CNC(=O)C1(N2CCC[C@H]2C(=O)N2CCC(C)CC2)CCCCC1.
What is the InChIKey of N-methyl-1-[(2S)-2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]cyclohexane-1-carboxamide?
The InChIKey is LKXQNNUZUZLJPF-INIZCTEOSA-N. The full InChI is InChI=1S/C19H33N3O2/c1-15-8-13-21(14-9-15)17(23)16-7-6-12-22(16)19(18(24)20-2)10-4-3-5-11-19/h15-16H,3-14H2,1-2H3,(H,20,24)/t16-/m0/s1.
What are the key properties of N-methyl-1-[(2S)-2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]cyclohexane-1-carboxamide?
N-methyl-1-[(2S)-2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]cyclohexane-1-carboxamide has a molecular weight of 335.49 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(2S)-2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 75411499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).